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29199-07-3

29199-07-3 | 1(3H)-Isobenzofuranone, 6-amino-3,3-bis[4-(dimethylamino)phenyl]-

CAS No: 29199-07-3 Catalog No: AG002XNA MDL No:

Product Description

Catalog Number:
AG002XNA
Chemical Name:
1(3H)-Isobenzofuranone, 6-amino-3,3-bis[4-(dimethylamino)phenyl]-
CAS Number:
29199-07-3
Molecular Formula:
C24H25N3O2
Molecular Weight:
387.4742
IUPAC Name:
6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
InChI:
InChI=1S/C24H25N3O2/c1-26(2)19-10-5-16(6-11-19)24(17-7-12-20(13-8-17)27(3)4)22-14-9-18(25)15-21(22)23(28)29-24/h5-15H,25H2,1-4H3
InChI Key:
JJTXQNPQIWNFFS-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)OC2(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C

Properties

Complexity:
549  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.195g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.483g/mol
Monoisotopic Mass:
387.195g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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